#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bq4 s LYS 2 N 0.00 1.86 -0.01 -0.52 2.20 -1.26 -2.07 119.74 119.94 1bq4 s LYS 2 Ca 0.00 -0.51 0.06 0.00 -0.36 0.00 0.00 55.97 55.17 1bq4 s LYS 2 Cb 0.00 -1.53 -0.02 0.00 -1.51 0.00 0.00 37.83 34.78 1bq4 s LYS 2 CO 0.00 0.09 -0.21 -1.17 -0.36 0.00 0.00 175.35 173.71 1bq4 s LEU 3 N 0.48 2.05 -0.10 5.43 2.96 -0.44 -2.10 118.68 126.96 1bq4 s LEU 3 Ca -0.13 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1bq4 s LEU 3 Cb -0.15 -1.06 0.02 0.00 0.50 0.00 0.00 46.19 45.50 1bq4 s LEU 3 CO 0.04 0.25 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.51 1bq4 s VAL 4 N -0.50 1.22 -0.10 1.68 1.01 0.21 -0.70 120.40 123.24 1bq4 s VAL 4 Ca 0.08 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1bq4 s VAL 4 Cb -0.08 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1bq4 s VAL 4 CO -0.01 0.39 -0.03 -0.76 0.00 0.00 0.00 175.10 174.70 1bq4 s LEU 5 N 1.19 3.40 -0.17 3.92 1.43 -0.08 0.12 118.68 128.48 1bq4 s LEU 5 Ca -0.04 0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1bq4 s LEU 5 Cb -0.14 -1.78 0.05 0.00 0.03 0.00 0.00 46.19 44.35 1bq4 s LEU 5 CO -0.03 0.32 -0.00 -0.69 0.23 0.00 0.00 176.35 176.18 1bq4 s VAL 6 N -0.56 0.76 -0.13 -1.59 1.01 0.34 -1.76 120.40 118.47 1bq4 s VAL 6 Ca 0.09 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.28 1bq4 s VAL 6 Cb -0.12 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1bq4 s VAL 6 CO 0.02 -0.02 0.89 -0.60 0.00 0.00 0.00 175.10 175.39 1bq4 s ARG 7 N 1.77 4.36 0.47 2.72 3.52 -1.26 -2.77 118.95 127.76 1bq4 s ARG 7 Ca 0.00 1.15 -0.24 0.00 -0.13 0.00 0.00 55.73 56.52 1bq4 s ARG 7 Cb -0.16 -3.55 -0.07 0.00 -1.56 0.00 0.00 34.95 29.61 1bq4 s ARG 7 CO -0.07 -0.28 1.30 -3.38 -0.81 0.00 0.00 175.30 172.06 1bq4 s HIS 8 N 1.95 2.61 0.11 5.12 -3.43 -1.22 -2.07 115.29 118.37 1bq4 s HIS 8 Ca 0.42 1.41 -0.02 0.00 -0.80 0.00 0.00 55.06 56.08 1bq4 s HIS 8 Cb -0.17 -3.67 0.03 0.00 -1.43 0.00 0.00 32.58 27.34 1bq4 s HIS 8 CO 0.15 -2.31 0.12 0.41 -2.00 0.00 0.00 174.74 171.11 1bq4 n GLY 9 N 0.62 -2.05 3.34 -1.38 0.00 -1.26 -4.70 105.19 99.77 1bq4 n GLY 9 Ca 0.07 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 1bq4 n GLY 9 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bq4 n GLN 10 N -1.65 0.16 -4.74 1.61 6.02 -1.26 -4.85 117.38 112.67 1bq4 n GLN 10 Ca 0.02 0.08 -0.32 0.00 -0.01 0.00 0.00 57.00 56.76 1bq4 n GLN 10 Cb 0.06 -1.51 -0.08 0.00 1.02 0.00 0.00 30.24 29.73 1bq4 n GLN 10 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1bq4 s SER 11 N -1.31 4.01 0.46 1.08 1.04 -1.26 -2.06 113.70 115.65 1bq4 s SER 11 Ca 0.59 -1.65 0.23 0.00 0.48 0.00 0.00 55.95 55.60 1bq4 s SER 11 Cb -0.35 0.50 1.08 0.00 0.10 0.00 0.00 66.02 67.35 1bq4 s SER 11 CO 0.64 -0.85 1.92 -0.33 0.98 0.00 0.00 173.24 175.60 1bq4 h GLU 12 N 1.40 0.00 0.00 4.02 5.08 -1.16 -2.86 114.58 121.06 1bq4 h GLU 12 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1bq4 h GLU 12 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1bq4 h GLU 12 CO 0.73 0.22 -0.80 0.91 -1.00 0.00 0.00 179.01 179.07 1bq4 n TRP 13 N -3.61 0.54 0.25 4.33 7.02 -1.26 -3.50 117.44 121.20 1bq4 n TRP 13 Ca -0.01 0.16 0.15 0.00 -1.02 0.00 0.00 57.50 56.77 1bq4 n TRP 13 Cb 0.36 -0.65 0.49 0.00 -2.42 0.00 0.00 31.31 29.09 1bq4 n TRP 13 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 1bq4 h ASN 14 N 0.00 0.00 0.40 -0.99 -0.73 -1.76 -1.80 115.58 110.69 1bq4 h ASN 14 Ca 0.00 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.86 1bq4 h ASN 14 Cb 0.78 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.35 1bq4 h ASN 14 CO 0.00 0.03 -1.69 -0.33 -0.37 0.00 0.00 177.43 175.07 1bq4 h GLU 15 N 0.00 0.16 -0.00 6.67 5.08 -1.62 -3.36 114.58 121.51 1bq4 h GLU 15 Ca -0.00 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1bq4 h GLU 15 Cb 0.70 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1bq4 h GLU 15 CO 0.00 0.94 -0.10 1.63 -1.00 0.00 0.00 179.01 180.48 1bq4 n LYS 16 N -3.33 0.65 -2.87 2.33 5.02 -1.02 -4.96 118.16 113.98 1bq4 n LYS 16 Ca -0.20 -0.20 -0.14 0.00 -2.02 0.00 0.00 58.31 55.75 1bq4 n LYS 16 Cb 1.04 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 34.59 1bq4 n LYS 16 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1bq4 n ASN 17 N -1.00 -4.38 -4.44 4.39 4.05 -0.83 -4.88 115.26 108.17 1bq4 n ASN 17 Ca 0.14 -0.23 -0.33 0.00 0.45 0.00 0.00 54.58 54.62 1bq4 n ASN 17 Cb 0.27 -3.14 -0.13 0.00 1.23 0.00 0.00 39.78 38.01 1bq4 n ASN 17 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1bq4 s LEU 18 N -4.35 2.86 -0.03 1.20 1.43 -0.74 0.10 118.68 119.14 1bq4 s LEU 18 Ca 0.24 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.81 1bq4 s LEU 18 Cb -0.11 -1.63 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 1bq4 s LEU 18 CO 0.30 0.23 1.56 -0.36 0.23 0.00 0.00 176.35 178.31 1bq4 s PHE 19 N -0.05 2.36 -0.20 0.29 2.99 -0.66 -4.63 117.98 118.09 1bq4 s PHE 19 Ca -0.02 0.44 -0.16 0.00 0.00 0.00 0.00 56.93 57.20 1bq4 s PHE 19 Cb -0.14 -3.83 -0.08 0.00 0.00 0.00 0.00 43.02 38.98 1bq4 s PHE 19 CO 0.04 -3.32 -0.27 2.41 -0.00 0.00 0.00 175.22 174.07 1bq4 n THR 20 N 5.11 1.49 0.00 0.64 -1.04 -1.26 -2.66 114.28 116.56 1bq4 n THR 20 Ca 0.16 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 1bq4 n THR 20 Cb 0.43 -2.24 0.00 0.00 -1.82 0.00 0.00 70.33 66.70 1bq4 n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bq4 n GLY 21 N 1.45 2.73 0.12 3.41 0.00 -1.26 -2.22 105.19 109.42 1bq4 n GLY 21 Ca -0.23 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.07 1bq4 n GLY 21 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bq4 n TRP 22 N 7.05 0.00 -1.75 1.61 7.02 -1.26 -4.55 117.44 125.55 1bq4 n TRP 22 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 1bq4 n TRP 22 Cb 0.00 -0.14 -0.01 0.00 -2.42 0.00 0.00 31.31 28.74 1bq4 n TRP 22 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1bq4 n VAL 23 N -1.10 1.36 -2.09 -0.99 0.31 -0.94 -4.81 118.33 110.05 1bq4 n VAL 23 Ca 0.08 -0.34 -0.42 0.00 -0.01 0.00 0.00 64.34 63.64 1bq4 n VAL 23 Cb 0.35 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 1bq4 n VAL 23 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1bq4 n ASP 24 N 1.58 4.51 -4.81 4.52 4.64 -1.26 -4.94 116.55 120.78 1bq4 n ASP 24 Ca 0.06 -2.96 -0.34 0.00 -1.38 0.00 0.00 54.79 50.17 1bq4 n ASP 24 Cb 0.37 -1.59 -0.05 0.00 -1.04 0.00 0.00 41.12 38.82 1bq4 n ASP 24 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1bq4 s VAL 25 N 2.03 4.04 0.28 5.18 1.01 -1.26 -4.86 120.40 126.83 1bq4 s VAL 25 Ca 0.44 1.29 -0.01 0.00 0.00 0.00 0.00 61.98 63.70 1bq4 s VAL 25 Cb 0.11 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1bq4 s VAL 25 CO -0.04 -0.25 0.50 -0.54 0.00 0.00 0.00 175.10 174.77 1bq4 s LYS 26 N -3.15 3.54 0.47 2.72 1.02 -1.26 -3.28 119.74 119.79 1bq4 s LYS 26 Ca 0.64 -0.25 -0.23 0.00 0.02 0.00 0.00 55.97 56.15 1bq4 s LYS 26 Cb -0.14 -2.72 -0.07 0.00 -0.52 0.00 0.00 37.83 34.38 1bq4 s LYS 26 CO 0.17 0.25 1.23 -1.17 -0.92 0.00 0.00 175.35 174.92 1bq4 s LEU 27 N -3.77 4.02 0.75 3.17 2.96 -1.26 -0.70 118.68 123.84 1bq4 s LEU 27 Ca 0.40 2.47 -0.06 0.00 -0.22 0.00 0.00 54.13 56.72 1bq4 s LEU 27 Cb -0.10 -4.18 0.11 0.00 0.50 0.00 0.00 46.19 42.51 1bq4 s LEU 27 CO 0.32 -1.04 1.05 -0.94 -1.32 0.00 0.00 176.35 174.42 1bq4 s SER 28 N -1.16 4.35 0.44 3.68 1.04 -0.88 -4.56 113.70 116.62 1bq4 s SER 28 Ca 0.64 0.09 0.13 0.00 0.48 0.00 0.00 55.95 57.29 1bq4 s SER 28 Cb -0.33 -0.54 1.04 0.00 0.10 0.00 0.00 66.02 66.29 1bq4 s SER 28 CO 0.40 -1.88 2.02 0.00 0.98 0.00 0.00 173.24 174.76 1bq4 h ALA 29 N -0.72 1.98 -0.20 5.32 0.00 -1.95 -1.00 119.26 122.69 1bq4 h ALA 29 Ca -0.41 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 1bq4 h ALA 29 Cb 1.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1bq4 h ALA 29 CO 0.48 -0.08 -0.44 -0.22 0.00 0.00 0.00 179.25 178.99 1bq4 h LYS 30 N 0.37 0.50 0.06 0.00 3.64 -1.92 -1.60 116.57 117.63 1bq4 h LYS 30 Ca 0.22 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1bq4 h LYS 30 Cb 0.39 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1bq4 h LYS 30 CO -0.05 0.85 -0.03 0.78 -2.27 0.00 0.00 179.45 178.72 1bq4 h GLY 31 N 1.10 -0.09 0.23 5.01 0.00 -1.35 -2.35 103.07 105.62 1bq4 h GLY 31 Ca 0.03 0.03 0.09 0.00 0.00 0.00 0.00 47.33 47.49 1bq4 h GLY 31 CO 0.08 -0.03 0.05 1.46 0.00 0.00 0.00 176.54 178.10 1bq4 h GLN 32 N -0.34 0.16 -0.75 4.80 4.20 -1.24 0.18 115.11 122.13 1bq4 h GLN 32 Ca -0.01 -0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.80 1bq4 h GLN 32 Cb 0.30 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 1bq4 h GLN 32 CO 0.01 0.11 0.49 1.96 -0.67 0.00 0.00 178.83 180.73 1bq4 h GLN 33 N 0.17 0.56 -0.09 1.46 4.20 -1.09 -1.86 115.11 118.47 1bq4 h GLN 33 Ca 0.26 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.86 1bq4 h GLN 33 Cb 0.38 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1bq4 h GLN 33 CO -0.38 0.37 -0.22 0.93 -0.67 0.00 0.00 178.83 178.86 1bq4 h GLU 34 N 0.58 0.31 -0.14 1.46 5.08 -0.53 -2.32 114.58 119.02 1bq4 h GLU 34 Ca 0.35 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1bq4 h GLU 34 Cb 0.58 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 1bq4 h GLU 34 CO -0.13 0.82 -0.16 0.00 -1.00 0.00 0.00 179.01 178.55 1bq4 h ALA 35 N 0.48 -0.07 -0.68 3.43 0.00 -0.29 -1.97 119.26 120.16 1bq4 h ALA 35 Ca -0.00 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1bq4 h ALA 35 Cb 0.83 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1bq4 h ALA 35 CO 0.05 -0.61 0.33 0.00 0.00 0.00 0.00 179.25 179.02 1bq4 h ALA 36 N 0.86 0.93 -0.24 0.00 0.00 -1.38 -1.32 119.26 118.11 1bq4 h ALA 36 Ca 0.10 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1bq4 h ALA 36 Cb 0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1bq4 h ALA 36 CO -0.25 -0.06 0.13 -0.09 0.00 0.00 0.00 179.25 178.97 1bq4 h ARG 37 N 0.58 0.33 -0.03 0.00 9.65 -0.93 -1.92 114.38 122.05 1bq4 h ARG 37 Ca 0.33 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.17 1bq4 h ARG 37 Cb 0.35 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.85 1bq4 h ARG 37 CO -0.26 0.25 -0.03 0.00 2.80 0.00 0.00 179.97 182.72 1bq4 h ALA 38 N 1.81 0.04 -0.57 2.80 0.00 -0.52 -2.78 119.26 120.04 1bq4 h ALA 38 Ca 0.09 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.81 1bq4 h ALA 38 Cb 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1bq4 h ALA 38 CO -0.01 -0.18 0.38 0.78 0.00 0.00 0.00 179.25 180.22 1bq4 h GLY 39 N -0.40 0.61 1.05 0.00 0.00 -0.91 -1.25 103.07 102.17 1bq4 h GLY 39 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 1bq4 h GLY 39 CO 0.01 0.13 -0.08 -2.09 0.00 0.00 0.00 176.54 174.51 1bq4 h GLU 40 N 0.47 0.95 0.00 4.80 4.81 -1.37 -1.27 114.58 122.96 1bq4 h GLU 40 Ca 0.26 -0.34 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 1bq4 h GLU 40 Cb 0.40 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1bq4 h GLU 40 CO -0.07 1.01 -0.39 -0.07 -0.73 0.00 0.00 179.01 178.75 1bq4 h LEU 41 N 0.81 0.00 -0.13 1.64 3.38 -1.04 0.59 115.31 120.57 1bq4 h LEU 41 Ca 0.13 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1bq4 h LEU 41 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1bq4 h LEU 41 CO 0.04 0.39 -0.20 -0.07 0.09 0.00 0.00 178.44 178.69 1bq4 h LEU 42 N 0.00 0.40 0.43 1.67 3.38 -0.90 -1.92 115.31 118.36 1bq4 h LEU 42 Ca -0.00 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 1bq4 h LEU 42 Cb 0.80 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1bq4 h LEU 42 CO 0.05 0.85 -0.21 0.50 0.09 0.00 0.00 178.44 179.72 1bq4 h LYS 43 N -0.05 -0.56 -0.85 1.13 3.64 -0.95 -1.72 116.57 117.21 1bq4 h LYS 43 Ca 0.01 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1bq4 h LYS 43 Cb 0.77 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.67 1bq4 h LYS 43 CO 0.05 -0.29 0.56 1.49 -2.27 0.00 0.00 179.45 178.98 1bq4 h GLU 44 N -0.75 1.03 -0.44 1.90 4.81 -0.99 -2.29 114.58 117.86 1bq4 h GLU 44 Ca -0.06 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1bq4 h GLU 44 Cb 0.53 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1bq4 h GLU 44 CO 0.10 0.68 0.00 1.63 -0.73 0.00 0.00 179.01 180.69 1bq4 n LYS 45 N -4.44 2.01 -3.92 1.92 4.01 -0.72 -4.96 118.16 112.06 1bq4 n LYS 45 Ca 0.11 -1.55 -0.29 0.00 -0.51 0.00 0.00 58.31 56.08 1bq4 n LYS 45 Cb 0.10 -1.34 0.02 0.00 -0.51 0.00 0.00 35.03 33.30 1bq4 n LYS 45 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1bq4 n LYS 46 N 0.75 -4.88 -3.67 1.97 5.02 -0.86 -4.96 118.16 111.52 1bq4 n LYS 46 Ca 0.14 0.55 -0.39 0.00 -2.02 0.00 0.00 58.31 56.60 1bq4 n LYS 46 Cb 0.37 -5.28 -0.12 0.00 -0.02 0.00 0.00 35.03 29.98 1bq4 n LYS 46 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1bq4 s VAL 47 N -3.43 4.33 -0.55 -0.18 1.01 -0.68 -5.06 120.40 115.84 1bq4 s VAL 47 Ca 0.48 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 1bq4 s VAL 47 Cb -0.25 -3.32 0.14 0.00 0.00 0.00 0.00 36.38 32.96 1bq4 s VAL 47 CO 0.85 -0.06 0.38 -0.31 0.00 0.00 0.00 175.10 175.95 1bq4 s TYR 48 N 1.54 3.49 -0.07 5.22 4.12 -1.26 -4.61 117.35 125.77 1bq4 s TYR 48 Ca 0.02 -2.45 -0.29 0.00 0.02 0.00 0.00 57.07 54.37 1bq4 s TYR 48 Cb -0.18 -3.30 -0.07 0.00 -1.52 0.00 0.00 41.96 36.89 1bq4 s TYR 48 CO 0.05 -0.91 2.04 -2.14 0.02 0.00 0.00 175.55 174.60 1bq4 s PRO 49 N 0.53 3.74 0.21 -1.71 0.02 -1.26 -4.74 135.00 131.79 1bq4 s PRO 49 Ca 0.13 2.34 0.16 0.00 0.02 0.00 0.00 61.00 63.64 1bq4 s PRO 49 Cb -0.21 -4.23 -0.00 0.00 0.02 0.00 0.00 34.50 30.07 1bq4 s PRO 49 CO -0.04 -1.40 1.25 -0.44 -0.33 0.00 0.00 177.00 176.04 1bq4 h ASP 50 N 12.26 0.00 -5.11 2.53 3.32 -1.54 -3.46 116.42 124.43 1bq4 h ASP 50 Ca -0.45 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.51 1bq4 h ASP 50 Cb 1.23 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.63 1bq4 h ASP 50 CO 0.95 0.52 -0.30 0.54 -1.72 0.00 0.00 179.24 179.23 1bq4 s VAL 51 N -2.96 0.11 -0.03 -1.35 0.11 -0.89 -4.15 120.40 111.25 1bq4 s VAL 51 Ca 0.02 -0.94 0.03 0.00 -2.93 0.00 0.00 61.98 58.16 1bq4 s VAL 51 Cb 0.08 -1.16 0.00 0.00 -1.53 0.00 0.00 36.38 33.78 1bq4 s VAL 51 CO 0.77 -0.52 -0.10 -0.22 -3.33 0.00 0.00 175.10 171.70 1bq4 s LEU 52 N -2.55 1.80 -0.13 2.54 2.96 0.16 -1.81 118.68 121.64 1bq4 s LEU 52 Ca 0.01 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1bq4 s LEU 52 Cb 0.02 -0.62 0.02 0.00 0.50 0.00 0.00 46.19 46.11 1bq4 s LEU 52 CO -0.08 0.08 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.57 1bq4 s TYR 53 N 0.19 2.07 0.00 5.38 1.51 -0.72 -0.82 117.35 124.96 1bq4 s TYR 53 Ca -0.04 -1.10 0.00 0.00 -1.01 0.00 0.00 57.07 54.92 1bq4 s TYR 53 Cb -0.09 -1.52 0.00 0.00 -0.11 0.00 0.00 41.96 40.23 1bq4 s TYR 53 CO 0.01 -0.60 0.00 0.25 -1.11 0.00 0.00 175.55 174.10 1bq4 n THR 54 N 4.60 0.00 -3.11 -0.71 -2.24 -0.81 -1.35 114.28 110.65 1bq4 n THR 54 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1bq4 n THR 54 Cb 0.50 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1bq4 n THR 54 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1bq4 n SER 55 N -0.30 1.01 -1.59 3.42 3.41 -1.21 -3.83 113.62 114.55 1bq4 n SER 55 Ca 0.00 -0.61 0.09 0.00 -0.26 0.00 0.00 58.87 58.09 1bq4 n SER 55 Cb 0.00 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.31 1bq4 n SER 55 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bq4 n LYS 56 N -0.30 3.85 -3.67 4.33 5.02 -1.25 -4.25 118.16 121.89 1bq4 n LYS 56 Ca 0.00 -2.91 -0.36 0.00 -2.02 0.00 0.00 58.31 53.02 1bq4 n LYS 56 Cb 0.00 -1.93 -0.08 0.00 -0.02 0.00 0.00 35.03 33.01 1bq4 n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bq4 s LEU 57 N -1.98 4.23 0.20 -0.35 1.43 -1.26 -5.01 118.68 115.94 1bq4 s LEU 57 Ca 0.51 0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 53.84 1bq4 s LEU 57 Cb 0.34 -2.19 0.22 0.00 0.03 0.00 0.00 46.19 44.59 1bq4 s LEU 57 CO 0.23 0.17 1.76 0.28 0.23 0.00 0.00 176.35 179.02 1bq4 h SER 58 N 6.56 0.28 -0.24 2.29 0.02 -1.89 -1.34 113.55 119.23 1bq4 h SER 58 Ca -0.42 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 60.66 1bq4 h SER 58 Cb 1.16 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 1bq4 h SER 58 CO 0.75 0.18 0.22 0.08 -1.14 0.00 0.00 176.83 176.92 1bq4 h ARG 59 N 0.44 0.00 0.20 3.45 0.11 -1.90 0.95 114.38 117.63 1bq4 h ARG 59 Ca 0.27 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 60.07 1bq4 h ARG 59 Cb 0.28 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.39 1bq4 h ARG 59 CO -0.25 0.00 -1.27 0.00 0.10 0.00 0.00 179.97 178.55 1bq4 h ALA 60 N 1.79 -0.09 -0.20 0.08 0.00 -1.59 -3.05 119.26 116.19 1bq4 h ALA 60 Ca 0.11 -0.84 -0.14 0.00 0.00 0.00 0.00 54.91 54.04 1bq4 h ALA 60 Cb 0.55 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1bq4 h ALA 60 CO -0.00 0.62 -0.46 0.82 0.00 0.00 0.00 179.25 180.22 1bq4 h ILE 61 N -0.07 1.31 -0.52 0.00 2.04 -0.37 -2.61 117.51 117.30 1bq4 h ILE 61 Ca -0.23 -1.67 -0.08 0.00 1.00 0.00 0.00 64.86 63.89 1bq4 h ILE 61 Cb 1.95 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 39.67 1bq4 h ILE 61 CO 0.21 0.52 0.01 1.56 0.00 0.00 0.00 178.15 180.45 1bq4 h GLN 62 N 0.42 0.91 -0.95 2.37 4.20 0.74 -2.17 115.11 120.62 1bq4 h GLN 62 Ca 0.03 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1bq4 h GLN 62 Cb 0.97 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.62 1bq4 h GLN 62 CO 0.09 0.93 0.61 1.15 -0.67 0.00 0.00 178.83 180.93 1bq4 h THR 63 N 0.78 1.25 0.66 -0.54 2.02 -1.43 -0.49 112.91 115.14 1bq4 h THR 63 Ca 0.15 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1bq4 h THR 63 Cb 0.51 -0.12 0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1bq4 h THR 63 CO 0.02 0.25 -0.32 0.00 0.37 0.00 0.00 175.52 175.85 1bq4 h ALA 64 N 1.38 -1.01 -1.04 6.16 0.00 -1.34 -0.75 119.26 122.66 1bq4 h ALA 64 Ca 0.34 -0.19 0.28 0.00 0.00 0.00 0.00 54.91 55.34 1bq4 h ALA 64 Cb -0.11 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1bq4 h ALA 64 CO -0.07 -0.95 0.71 -0.91 0.00 0.00 0.00 179.25 178.03 1bq4 h ASN 65 N -1.07 0.25 0.00 0.00 -0.26 -1.24 0.07 115.58 113.34 1bq4 h ASN 65 Ca -0.09 0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.67 1bq4 h ASN 65 Cb 0.68 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.93 1bq4 h ASN 65 CO 0.15 0.06 -0.15 0.40 -1.06 0.00 0.00 177.43 176.82 1bq4 h ILE 66 N 0.23 1.70 -0.25 2.81 2.04 -1.03 -3.27 117.51 119.74 1bq4 h ILE 66 Ca 0.55 -2.34 0.02 0.00 1.00 0.00 0.00 64.86 64.09 1bq4 h ILE 66 Cb 1.70 3.27 -0.02 0.00 -0.74 0.00 0.00 36.82 41.03 1bq4 h ILE 66 CO -0.16 0.58 0.11 0.00 0.00 0.00 0.00 178.15 178.68 1bq4 h ALA 67 N -0.05 0.30 0.00 1.87 0.00 -0.53 0.08 119.26 120.92 1bq4 h ALA 67 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bq4 h ALA 67 Cb 1.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1bq4 h ALA 67 CO -0.02 -0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.22 1bq4 n LEU 68 N -4.99 0.00 0.03 0.00 4.77 -0.04 -2.39 117.00 114.37 1bq4 n LEU 68 Ca -0.02 0.13 -0.15 0.00 -0.03 0.00 0.00 56.01 55.94 1bq4 n LEU 68 Cb 0.07 -0.13 -0.14 0.00 -2.33 0.00 0.00 43.42 40.89 1bq4 n LEU 68 CO 0.31 -0.04 -0.43 -0.08 -1.33 0.00 0.00 177.39 175.82 1bq4 h GLU 69 N 0.00 0.17 0.00 3.23 4.22 -1.03 -1.78 114.58 119.39 1bq4 h GLU 69 Ca 0.00 -0.29 0.00 0.00 0.08 0.00 0.00 59.36 59.15 1bq4 h GLU 69 Cb 0.09 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1bq4 h GLU 69 CO 0.00 0.96 0.00 1.63 -2.18 0.00 0.00 179.01 179.42 1bq4 n LYS 70 N -3.34 0.19 0.00 1.92 4.76 -1.01 -2.48 118.16 118.20 1bq4 n LYS 70 Ca -0.18 0.20 0.10 0.00 -2.87 0.00 0.00 58.31 55.56 1bq4 n LYS 70 Cb 1.04 -1.74 -0.12 0.00 -1.84 0.00 0.00 35.03 32.37 1bq4 n LYS 70 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bq4 n ALA 71 N -1.72 4.72 -1.07 7.82 0.00 -1.05 -4.56 120.51 124.66 1bq4 n ALA 71 Ca 0.05 -0.60 -0.02 0.00 0.00 0.00 0.00 53.44 52.87 1bq4 n ALA 71 Cb 0.38 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 1bq4 n ALA 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bq4 n ASP 72 N -1.44 -4.96 -2.27 0.00 9.92 -1.03 -4.88 116.55 111.89 1bq4 n ASP 72 Ca 0.04 0.06 -0.29 0.00 -0.53 0.00 0.00 54.79 54.08 1bq4 n ASP 72 Cb 0.34 -2.67 0.14 0.00 -0.64 0.00 0.00 41.12 38.28 1bq4 n ASP 72 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1bq4 n ARG 73 N -0.70 2.43 0.00 -1.24 1.74 -0.70 -4.57 116.66 113.62 1bq4 n ARG 73 Ca -0.02 -3.12 0.04 0.00 -0.77 0.00 0.00 57.85 53.98 1bq4 n ARG 73 Cb 0.36 -2.22 0.23 0.00 -1.02 0.00 0.00 32.46 29.80 1bq4 n ARG 73 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1bq4 n LEU 74 N -1.05 0.00 -0.02 0.55 7.94 -1.02 -2.27 117.00 121.14 1bq4 n LEU 74 Ca 0.61 0.16 0.09 0.00 -1.11 0.00 0.00 56.01 55.76 1bq4 n LEU 74 Cb 1.25 -0.16 -0.17 0.00 0.53 0.00 0.00 43.42 44.88 1bq4 n LEU 74 CO 0.69 -0.11 -0.79 -2.67 -1.11 0.00 0.00 177.39 173.40 1bq4 n TRP 75 N -1.16 0.01 -1.55 1.96 4.27 -1.26 -5.00 117.44 114.72 1bq4 n TRP 75 Ca 0.05 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.27 1bq4 n TRP 75 Cb 0.05 -0.55 0.03 0.00 -1.36 0.00 0.00 31.31 29.48 1bq4 n TRP 75 CO 0.00 0.00 0.00 0.44 -2.29 0.00 0.00 177.69 175.84 1bq4 n ILE 76 N -2.31 2.68 -1.88 -1.67 -5.35 -0.96 -4.91 119.36 104.96 1bq4 n ILE 76 Ca -0.07 -0.50 -0.35 0.00 -0.27 0.00 0.00 62.75 61.56 1bq4 n ILE 76 Cb 0.62 -0.95 0.05 0.00 -1.74 0.00 0.00 39.64 37.62 1bq4 n ILE 76 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1bq4 s PRO 77 N -2.20 2.79 -0.03 6.28 0.04 -1.26 -4.82 135.00 135.81 1bq4 s PRO 77 Ca 0.68 1.79 -0.00 0.00 0.04 0.00 0.00 61.00 63.51 1bq4 s PRO 77 Cb -0.49 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.17 1bq4 s PRO 77 CO 0.53 -1.34 0.02 0.54 0.04 0.00 0.00 177.00 176.80 1bq4 s VAL 78 N -1.71 0.04 0.09 -0.36 0.11 -1.26 -0.67 120.40 116.64 1bq4 s VAL 78 Ca 0.76 0.19 0.09 0.00 -2.93 0.00 0.00 61.98 60.09 1bq4 s VAL 78 Cb -0.30 -0.18 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 1bq4 s VAL 78 CO 0.36 0.13 -0.20 0.20 -3.33 0.00 0.00 175.10 172.26 1bq4 s ASN 79 N 1.23 3.72 0.02 3.54 -0.87 0.00 -5.02 114.94 117.56 1bq4 s ASN 79 Ca -0.07 -0.54 0.05 0.00 -1.57 0.00 0.00 52.86 50.73 1bq4 s ASN 79 Cb -0.13 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.25 40.58 1bq4 s ASN 79 CO -0.03 0.21 -0.16 -0.13 -2.57 0.00 0.00 177.10 174.42 1bq4 s ARG 80 N -1.81 1.17 -0.19 -0.60 0.52 -1.26 -1.92 118.95 114.86 1bq4 s ARG 80 Ca 0.16 -0.73 -0.13 0.00 -0.52 0.00 0.00 55.73 54.51 1bq4 s ARG 80 Cb -0.10 -1.19 0.06 0.00 0.52 0.00 0.00 34.95 34.23 1bq4 s ARG 80 CO 0.07 0.31 0.49 0.45 0.02 0.00 0.00 175.30 176.64 1bq4 s SER 81 N -0.85 -0.59 0.59 0.23 0.15 -1.25 -4.97 113.70 107.01 1bq4 s SER 81 Ca 0.05 1.03 0.29 0.00 0.70 0.00 0.00 55.95 58.02 1bq4 s SER 81 Cb -0.07 0.96 1.42 0.00 -1.71 0.00 0.00 66.02 66.61 1bq4 s SER 81 CO 0.01 -0.19 1.81 4.11 1.20 0.00 0.00 173.24 180.18 1bq4 h TRP 82 N 6.46 0.00 0.00 3.44 5.08 -1.91 0.42 115.95 129.44 1bq4 h TRP 82 Ca -0.32 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.65 1bq4 h TRP 82 Cb 1.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 1bq4 h TRP 82 CO 0.27 0.00 0.00 0.54 -1.28 0.00 0.00 178.44 177.97 1bq4 n ARG 83 N -3.71 0.09 0.00 0.12 1.74 -1.26 -0.95 116.66 112.68 1bq4 n ARG 83 Ca 0.12 0.25 0.10 0.00 -0.77 0.00 0.00 57.85 57.55 1bq4 n ARG 83 Cb 0.84 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.68 1bq4 n ARG 83 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1bq4 n LEU 84 N -1.35 1.13 -4.20 0.55 4.77 0.14 -4.41 117.00 113.64 1bq4 n LEU 84 Ca 0.04 -0.54 -0.35 0.00 -0.03 0.00 0.00 56.01 55.13 1bq4 n LEU 84 Cb 0.08 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.26 1bq4 n LEU 84 CO 0.07 0.26 -0.87 0.59 -1.33 0.00 0.00 177.39 176.11 1bq4 n ASN 85 N -1.28 -3.59 -4.89 -1.43 4.13 -0.12 -4.12 115.26 103.95 1bq4 n ASN 85 Ca 0.05 0.16 -0.29 0.00 1.68 0.00 0.00 54.58 56.17 1bq4 n ASN 85 Cb 0.34 -0.92 0.05 0.00 -1.54 0.00 0.00 39.78 37.71 1bq4 n ASN 85 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1bq4 s GLU 86 N -2.83 2.79 0.12 3.52 2.56 -1.26 -4.34 118.70 119.26 1bq4 s GLU 86 Ca 0.48 0.35 -0.32 0.00 0.00 0.00 0.00 54.97 55.48 1bq4 s GLU 86 Cb -0.14 -2.06 -0.11 0.00 2.00 0.00 0.00 34.13 33.82 1bq4 s GLU 86 CO 0.72 -1.03 1.81 -2.13 -0.56 0.00 0.00 175.26 174.08 1bq4 n ARG 87 N -2.96 2.72 -1.98 4.30 0.00 -1.26 -4.62 116.66 112.86 1bq4 n ARG 87 Ca 0.07 0.99 -0.41 0.00 -0.00 0.00 0.00 57.85 58.49 1bq4 n ARG 87 Cb 0.58 -2.87 -0.02 0.00 0.00 0.00 0.00 32.46 30.15 1bq4 n ARG 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1bq4 s HIS 88 N 2.51 2.97 -2.44 -0.14 5.65 -1.26 -4.21 115.29 118.36 1bq4 s HIS 88 Ca 0.82 1.04 0.23 0.00 0.25 0.00 0.00 55.06 57.39 1bq4 s HIS 88 Cb -0.51 -3.85 0.50 0.00 -1.18 0.00 0.00 32.58 27.54 1bq4 s HIS 88 CO 0.37 -2.71 1.43 0.66 -0.65 0.00 0.00 174.74 173.85 1bq4 n TYR 89 N 2.07 0.42 -1.26 3.88 4.01 -1.26 -1.90 117.16 123.11 1bq4 n TYR 89 Ca 0.06 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1bq4 n TYR 89 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 1bq4 n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bq4 n GLY 90 N 1.41 3.40 0.27 2.72 0.00 -1.25 -3.10 105.19 108.63 1bq4 n GLY 90 Ca 0.18 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1bq4 n GLY 90 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1bq4 h ASP 91 N 2.54 0.80 0.00 1.61 3.58 -0.09 -2.85 116.42 122.00 1bq4 h ASP 91 Ca 0.00 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1bq4 h ASP 91 Cb 0.00 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.85 1bq4 h ASP 91 CO 0.00 0.67 0.06 0.18 -2.88 0.00 0.00 179.24 177.27 1bq4 n LEU 92 N -4.53 0.00 -4.71 2.28 4.32 -1.18 -4.70 117.00 108.48 1bq4 n LEU 92 Ca 0.05 0.18 -0.42 0.00 -0.02 0.00 0.00 56.01 55.80 1bq4 n LEU 92 Cb 0.10 -0.18 -0.03 0.00 -1.62 0.00 0.00 43.42 41.68 1bq4 n LEU 92 CO 0.37 -0.18 0.69 -1.10 -1.22 0.00 0.00 177.39 175.95 1bq4 s GLN 93 N -2.25 4.55 0.00 3.23 -0.21 -1.07 -3.49 119.66 120.42 1bq4 s GLN 93 Ca 0.00 1.43 0.00 0.00 0.02 0.00 0.00 55.36 56.81 1bq4 s GLN 93 Cb 0.00 -3.46 0.00 0.00 1.00 0.00 0.00 33.01 30.55 1bq4 s GLN 93 CO 0.00 -0.07 0.00 0.41 -2.12 0.00 0.00 175.29 173.51 1bq4 n GLY 94 N 2.92 0.90 3.08 3.09 0.00 -1.09 -4.78 105.19 109.32 1bq4 n GLY 94 Ca 0.06 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 1bq4 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bq4 s LYS 95 N -3.42 0.54 0.09 1.61 1.02 -1.23 -4.98 119.74 113.37 1bq4 s LYS 95 Ca 0.00 -0.85 -0.31 0.00 0.02 0.00 0.00 55.97 54.83 1bq4 s LYS 95 Cb 0.00 0.20 -0.06 0.00 -0.52 0.00 0.00 37.83 37.45 1bq4 s LYS 95 CO 0.00 -0.12 1.22 0.34 -0.92 0.00 0.00 175.35 175.87 1bq4 s ASP 96 N -2.20 7.05 0.37 2.83 2.15 -1.26 -1.65 116.67 123.95 1bq4 s ASP 96 Ca -0.04 2.09 0.15 0.00 0.43 0.00 0.00 52.55 55.18 1bq4 s ASP 96 Cb -0.01 -2.58 0.72 0.00 -0.30 0.00 0.00 42.92 40.75 1bq4 s ASP 96 CO -0.05 -0.47 1.80 0.11 -0.17 0.00 0.00 175.17 176.38 1bq4 h LYS 97 N 6.54 0.00 0.05 4.34 1.57 -0.68 -0.81 116.57 127.58 1bq4 h LYS 97 Ca -0.42 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.11 1bq4 h LYS 97 Cb 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1bq4 h LYS 97 CO 0.81 0.39 -1.24 0.00 -0.57 0.00 0.00 179.45 178.83 1bq4 h ALA 98 N 1.61 0.33 -0.07 3.86 0.00 -1.92 -2.99 119.26 120.09 1bq4 h ALA 98 Ca -0.00 -1.01 -0.22 0.00 0.00 0.00 0.00 54.91 53.67 1bq4 h ALA 98 Cb 0.75 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.59 1bq4 h ALA 98 CO 0.05 1.21 -0.85 0.93 0.00 0.00 0.00 179.25 180.59 1bq4 h GLU 99 N 0.03 0.56 -0.01 0.00 5.08 -1.93 -2.28 114.58 116.03 1bq4 h GLU 99 Ca -0.12 -0.51 -0.08 0.00 -1.00 0.00 0.00 59.36 57.65 1bq4 h GLU 99 Cb 1.89 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.25 1bq4 h GLU 99 CO 0.15 1.14 -0.39 1.15 -1.00 0.00 0.00 179.01 180.06 1bq4 h THR 100 N 0.35 1.28 0.01 1.13 2.02 -1.25 -2.03 112.91 114.42 1bq4 h THR 100 Ca -0.06 -1.34 -0.22 0.00 0.77 0.00 0.00 66.41 65.55 1bq4 h THR 100 Cb 1.47 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 69.58 1bq4 h THR 100 CO 0.16 0.39 -0.94 0.25 0.37 0.00 0.00 175.52 175.74 1bq4 h LEU 101 N 0.02 0.39 -0.66 2.58 5.85 -1.34 -2.47 115.31 119.67 1bq4 h LEU 101 Ca -0.00 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1bq4 h LEU 101 Cb 0.69 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1bq4 h LEU 101 CO 0.05 1.14 0.00 0.11 -0.34 0.00 0.00 178.44 179.40 1bq4 h LYS 102 N 0.16 0.00 0.00 1.25 1.57 -1.15 -2.16 116.57 116.24 1bq4 h LYS 102 Ca -0.07 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.47 1bq4 h LYS 102 Cb 1.58 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.86 1bq4 h LYS 102 CO 0.15 0.00 -1.48 1.17 -0.57 0.00 0.00 179.45 178.72 1bq4 n LYS 103 N -2.43 0.55 0.00 3.15 4.81 -0.79 -4.61 118.16 118.85 1bq4 n LYS 103 Ca 0.03 0.47 0.11 0.00 -0.87 0.00 0.00 58.31 58.04 1bq4 n LYS 103 Cb 0.29 -1.65 -0.02 0.00 0.02 0.00 0.00 35.03 33.67 1bq4 n LYS 103 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1bq4 n PHE 104 N -4.41 0.05 0.00 5.64 3.01 -0.94 -5.09 117.46 115.71 1bq4 n PHE 104 Ca -0.34 0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.14 1bq4 n PHE 104 Cb 0.67 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 1bq4 n PHE 104 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bq4 n GLY 105 N 1.46 -1.10 0.21 1.37 0.00 -0.81 -3.89 105.19 102.44 1bq4 n GLY 105 Ca 0.03 -1.63 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 1bq4 n GLY 105 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1bq4 h GLU 106 N 0.00 -0.27 0.71 1.61 4.81 -1.95 -1.87 114.58 117.61 1bq4 h GLU 106 Ca 0.00 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1bq4 h GLU 106 Cb 0.00 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1bq4 h GLU 106 CO 0.00 -0.18 -0.37 1.49 -0.73 0.00 0.00 179.01 179.22 1bq4 h GLU 107 N -0.28 -0.96 0.00 1.92 4.81 -1.98 0.50 114.58 118.60 1bq4 h GLU 107 Ca 0.05 0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1bq4 h GLU 107 Cb 0.35 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 1bq4 h GLU 107 CO -0.16 -0.64 -0.12 -0.22 -0.73 0.00 0.00 179.01 177.14 1bq4 h LYS 108 N -0.99 0.00 0.12 1.92 1.63 -1.67 -0.38 116.57 117.19 1bq4 h LYS 108 Ca -0.09 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1bq4 h LYS 108 Cb 0.78 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1bq4 h LYS 108 CO 0.14 0.12 -0.06 0.35 -3.45 0.00 0.00 179.45 176.55 1bq4 h PHE 109 N 0.00 -0.15 -0.08 1.91 3.57 -1.07 -1.52 116.94 119.59 1bq4 h PHE 109 Ca -0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1bq4 h PHE 109 Cb 0.25 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1bq4 h PHE 109 CO 0.00 0.24 -0.04 -0.91 -2.23 0.00 0.00 178.31 175.36 1bq4 h ASN 110 N -0.58 -0.14 -0.54 0.41 4.21 -0.49 -2.59 115.58 115.86 1bq4 h ASN 110 Ca -0.02 0.03 0.10 0.00 1.21 0.00 0.00 56.30 57.63 1bq4 h ASN 110 Cb 0.46 0.08 -0.08 0.00 -1.12 0.00 0.00 38.32 37.65 1bq4 h ASN 110 CO 0.03 -0.06 0.05 0.74 -1.29 0.00 0.00 177.43 176.90 1bq4 h THR 111 N -0.04 0.62 0.00 2.81 2.02 -1.07 0.69 112.91 117.94 1bq4 h THR 111 Ca 0.05 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1bq4 h THR 111 Cb 0.11 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1bq4 h THR 111 CO -0.10 0.03 -0.05 1.88 0.37 0.00 0.00 175.52 177.65 1bq4 h TYR 112 N 0.17 0.00 0.04 3.16 0.05 -1.06 -1.72 116.97 117.62 1bq4 h TYR 112 Ca 0.28 0.00 -0.37 0.00 0.05 0.00 0.00 58.73 58.69 1bq4 h TYR 112 Cb 0.42 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.11 1bq4 h TYR 112 CO -0.29 0.05 -2.22 0.54 -1.05 0.00 0.00 178.16 175.20 1bq4 n ARG 113 N -3.47 0.69 0.00 4.88 1.74 0.78 -4.62 116.66 116.67 1bq4 n ARG 113 Ca -0.02 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1bq4 n ARG 113 Cb 0.18 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1bq4 n ARG 113 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1bq4 n ARG 114 N -3.25 -0.43 -2.32 5.56 5.12 0.21 -5.05 116.66 116.49 1bq4 n ARG 114 Ca -0.36 -0.30 -0.39 0.00 -1.93 0.00 0.00 57.85 54.87 1bq4 n ARG 114 Cb 1.04 -0.77 -0.03 0.00 -1.16 0.00 0.00 32.46 31.55 1bq4 n ARG 114 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1bq4 s SER 115 N -0.02 6.72 -0.07 0.55 1.04 -0.65 -4.67 113.70 116.58 1bq4 s SER 115 Ca 0.00 2.35 -0.21 0.00 0.48 0.00 0.00 55.95 58.57 1bq4 s SER 115 Cb 0.00 -2.62 -0.17 0.00 0.10 0.00 0.00 66.02 63.33 1bq4 s SER 115 CO 0.00 -0.54 0.81 0.15 0.98 0.00 0.00 173.24 174.64 1bq4 h PHE 116 N 2.95 -0.11 0.00 5.02 3.57 -1.89 -3.38 116.94 123.11 1bq4 h PHE 116 Ca -0.48 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.01 1bq4 h PHE 116 Cb 1.23 0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.00 1bq4 h PHE 116 CO 0.56 0.42 -1.08 -0.40 -2.23 0.00 0.00 178.31 175.58 1bq4 n ASP 117 N -4.83 0.63 -4.52 0.41 5.68 -1.26 -0.66 116.55 112.00 1bq4 n ASP 117 Ca -0.08 0.03 -0.43 0.00 -0.50 0.00 0.00 54.79 53.82 1bq4 n ASP 117 Cb 0.29 0.74 -0.07 0.00 -1.14 0.00 0.00 41.12 40.94 1bq4 n ASP 117 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1bq4 s VAL 118 N -3.28 4.87 0.31 2.12 1.01 -1.26 -4.93 120.40 119.23 1bq4 s VAL 118 Ca 0.01 0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.89 1bq4 s VAL 118 Cb 0.13 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 1bq4 s VAL 118 CO 0.80 -0.55 0.77 -2.16 0.00 0.00 0.00 175.10 173.95 1bq4 s PRO 119 N 2.72 4.12 1.42 2.72 0.04 -1.26 -4.65 135.00 140.11 1bq4 s PRO 119 Ca 0.21 0.81 -0.22 0.00 0.04 0.00 0.00 61.00 61.83 1bq4 s PRO 119 Cb -0.15 -2.54 0.36 0.00 0.04 0.00 0.00 34.50 32.22 1bq4 s PRO 119 CO 0.18 0.20 0.84 -2.30 0.04 0.00 0.00 177.00 175.97 1bq4 n PRO 120 N -0.07 -4.43 -2.98 0.56 -0.02 -1.25 -4.92 135.00 121.89 1bq4 n PRO 120 Ca 0.02 -1.31 -0.37 0.00 -2.02 0.00 0.00 63.50 59.83 1bq4 n PRO 120 Cb 0.53 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 1bq4 n PRO 120 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1bq4 s PRO 121 N -4.86 4.39 0.20 0.52 0.02 -1.26 -4.76 135.00 129.25 1bq4 s PRO 121 Ca 0.65 1.05 -0.32 0.00 0.02 0.00 0.00 61.00 62.40 1bq4 s PRO 121 Cb -0.13 -2.87 -0.15 0.00 0.02 0.00 0.00 34.50 31.36 1bq4 s PRO 121 CO 0.56 0.36 1.24 -0.35 -0.33 0.00 0.00 177.00 178.48 1bq4 n PRO 122 N 0.72 1.44 -2.86 5.54 -0.04 -1.26 0.52 135.00 139.06 1bq4 n PRO 122 Ca -0.01 0.51 -0.41 0.00 -0.04 0.00 0.00 63.50 63.56 1bq4 n PRO 122 Cb 0.51 -2.06 -0.04 0.00 -0.04 0.00 0.00 33.50 31.86 1bq4 n PRO 122 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1bq4 s ILE 123 N -0.17 4.77 0.06 0.52 2.07 -0.76 -4.20 121.20 123.50 1bq4 s ILE 123 Ca 0.71 1.82 -0.35 0.00 -1.41 0.00 0.00 60.65 61.41 1bq4 s ILE 123 Cb -0.78 -4.21 -0.15 0.00 0.13 0.00 0.00 42.46 37.45 1bq4 s ILE 123 CO 0.52 0.28 1.56 -0.67 -1.91 0.00 0.00 174.94 174.71 1bq4 n ASP 124 N 3.28 2.59 -0.34 4.50 4.64 -1.26 -4.87 116.55 125.10 1bq4 n ASP 124 Ca 0.01 1.08 0.10 0.00 -1.38 0.00 0.00 54.79 54.60 1bq4 n ASP 124 Cb 0.50 -1.31 0.21 0.00 -1.04 0.00 0.00 41.12 39.48 1bq4 n ASP 124 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1bq4 h ALA 125 N 6.08 0.89 -1.02 -1.67 0.00 -1.99 -2.34 119.26 119.21 1bq4 h ALA 125 Ca -0.46 0.35 -0.74 0.00 0.00 0.00 0.00 54.91 54.05 1bq4 h ALA 125 Cb 1.29 0.65 -0.28 0.00 0.00 0.00 0.00 17.79 19.45 1bq4 h ALA 125 CO 0.87 -0.47 0.95 0.43 0.00 0.00 0.00 179.25 181.03 1bq4 n SER 126 N -5.54 7.45 -4.91 0.00 7.64 -1.26 -4.85 113.62 112.16 1bq4 n SER 126 Ca 0.19 -3.83 -0.27 0.00 1.01 0.00 0.00 58.87 55.97 1bq4 n SER 126 Cb 0.61 -1.02 -0.04 0.00 -1.01 0.00 0.00 64.21 62.75 1bq4 n SER 126 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1bq4 s SER 127 N -1.33 6.16 0.33 6.43 0.15 -0.88 -5.02 113.70 119.53 1bq4 s SER 127 Ca 0.54 0.12 0.23 0.00 0.70 0.00 0.00 55.95 57.55 1bq4 s SER 127 Cb 0.45 -1.81 1.19 0.00 -1.71 0.00 0.00 66.02 64.13 1bq4 s SER 127 CO -0.33 0.07 1.71 1.55 1.20 0.00 0.00 173.24 177.45 1bq4 h PRO 128 N 2.33 0.00 -0.27 5.44 0.13 -1.95 -2.71 132.00 134.97 1bq4 h PRO 128 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1bq4 h PRO 128 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1bq4 h PRO 128 CO 0.68 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.64 1bq4 n PHE 129 N -2.31 0.45 -3.47 1.56 0.99 -1.26 -5.00 117.46 108.41 1bq4 n PHE 129 Ca -0.01 -0.57 -0.38 0.00 -0.00 0.00 0.00 57.45 56.50 1bq4 n PHE 129 Cb 0.09 -0.07 -0.06 0.00 -1.00 0.00 0.00 39.48 38.44 1bq4 n PHE 129 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1bq4 s SER 130 N -1.18 6.75 -0.10 4.37 0.15 -1.03 -4.80 113.70 117.86 1bq4 s SER 130 Ca 0.23 0.89 0.12 0.00 0.70 0.00 0.00 55.95 57.89 1bq4 s SER 130 Cb 0.14 -2.25 0.51 0.00 -1.71 0.00 0.00 66.02 62.71 1bq4 s SER 130 CO 0.12 0.25 1.35 0.00 1.20 0.00 0.00 173.24 176.16 1bq4 n GLN 131 N 2.30 3.06 -1.99 5.44 3.00 -1.26 -4.91 117.38 123.03 1bq4 n GLN 131 Ca -0.13 -1.99 -0.43 0.00 -0.01 0.00 0.00 57.00 54.45 1bq4 n GLN 131 Cb 0.52 -1.78 -0.03 0.00 0.00 0.00 0.00 30.24 28.96 1bq4 n GLN 131 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1bq4 s LYS 132 N -1.86 3.70 0.00 -1.09 2.20 -1.26 -1.68 119.74 119.74 1bq4 s LYS 132 Ca 0.35 1.78 0.00 0.00 -0.36 0.00 0.00 55.97 57.74 1bq4 s LYS 132 Cb 0.24 -4.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 1bq4 s LYS 132 CO 0.15 -1.42 0.00 0.41 -0.36 0.00 0.00 175.35 174.13 1bq4 n GLY 133 N 4.87 0.61 3.70 5.54 0.00 -1.26 -5.07 105.19 113.58 1bq4 n GLY 133 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1bq4 n GLY 133 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bq4 n ASP 134 N 0.00 3.17 -0.20 1.61 9.92 -0.68 -4.86 116.55 125.52 1bq4 n ASP 134 Ca 0.00 1.15 0.22 0.00 -0.53 0.00 0.00 54.79 55.63 1bq4 n ASP 134 Cb 0.00 -1.50 0.60 0.00 -0.64 0.00 0.00 41.12 39.58 1bq4 n ASP 134 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1bq4 h GLU 135 N 4.29 0.23 0.00 -1.24 4.81 -1.97 -0.70 114.58 119.99 1bq4 h GLU 135 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1bq4 h GLU 135 Cb 1.26 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1bq4 h GLU 135 CO 0.76 0.15 0.00 2.89 -0.73 0.00 0.00 179.01 182.08 1bq4 n ARG 136 N -4.42 0.03 -0.93 1.92 1.85 -1.26 -3.01 116.66 110.84 1bq4 n ARG 136 Ca 0.18 0.20 0.02 0.00 -1.00 0.00 0.00 57.85 57.25 1bq4 n ARG 136 Cb 0.78 -1.56 0.16 0.00 -1.05 0.00 0.00 32.46 30.80 1bq4 n ARG 136 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1bq4 n TYR 137 N -1.62 0.38 1.58 2.89 4.02 -0.27 -4.78 117.16 119.36 1bq4 n TYR 137 Ca 0.04 -1.49 0.12 0.00 -0.01 0.00 0.00 57.90 56.56 1bq4 n TYR 137 Cb 0.24 -0.25 0.54 0.00 -0.02 0.00 0.00 39.34 39.84 1bq4 n TYR 137 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1bq4 n LYS 138 N -0.88 1.44 -0.52 -0.72 2.85 -1.16 -3.61 118.16 115.55 1bq4 n LYS 138 Ca 0.21 -0.65 0.06 0.00 -1.05 0.00 0.00 58.31 56.88 1bq4 n LYS 138 Cb 0.78 -1.41 0.12 0.00 -0.65 0.00 0.00 35.03 33.87 1bq4 n LYS 138 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1bq4 n TYR 139 N -0.16 0.00 -4.30 5.58 0.53 -1.26 -5.02 117.16 112.53 1bq4 n TYR 139 Ca 0.17 -0.90 -0.27 0.00 -1.02 0.00 0.00 57.90 55.88 1bq4 n TYR 139 Cb 0.24 -0.16 -0.10 0.00 -1.03 0.00 0.00 39.34 38.29 1bq4 n TYR 139 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 1bq4 s VAL 140 N -2.05 3.10 -0.04 -0.72 1.01 -1.24 -5.08 120.40 115.38 1bq4 s VAL 140 Ca 0.28 -1.67 -0.30 0.00 0.00 0.00 0.00 61.98 60.30 1bq4 s VAL 140 Cb 0.27 -2.52 -0.07 0.00 0.00 0.00 0.00 36.38 34.07 1bq4 s VAL 140 CO -0.04 -0.09 1.79 -0.62 0.00 0.00 0.00 175.10 176.15 1bq4 s ASP 141 N -2.74 6.51 0.43 3.32 2.15 -1.26 -4.89 116.67 120.19 1bq4 s ASP 141 Ca 0.24 2.33 0.19 0.00 0.43 0.00 0.00 52.55 55.74 1bq4 s ASP 141 Cb -0.09 -2.53 1.12 0.00 -0.30 0.00 0.00 42.92 41.12 1bq4 s ASP 141 CO 0.14 -1.05 1.87 -0.65 -0.17 0.00 0.00 175.17 175.31 1bq4 h PRO 142 N 10.27 0.35 0.00 4.34 0.11 -1.98 -1.78 132.00 143.32 1bq4 h PRO 142 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1bq4 h PRO 142 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1bq4 h PRO 142 CO 0.95 0.23 0.00 -0.91 -0.21 0.00 0.00 178.00 178.06 1bq4 h ASN 143 N 0.36 0.00 0.57 -2.05 2.35 -2.02 -3.10 115.58 111.69 1bq4 h ASN 143 Ca 0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.20 1bq4 h ASN 143 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1bq4 h ASN 143 CO -0.15 0.00 -0.61 0.55 -1.65 0.00 0.00 177.43 175.57 1bq4 n VAL 144 N -2.95 0.11 -2.24 2.81 3.14 -0.67 -4.83 118.33 113.70 1bq4 n VAL 144 Ca 0.01 -0.10 -0.43 0.00 -2.96 0.00 0.00 64.34 60.87 1bq4 n VAL 144 Cb 0.32 0.17 -0.02 0.00 -1.06 0.00 0.00 33.84 33.24 1bq4 n VAL 144 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1bq4 s LEU 145 N -3.42 3.99 0.26 6.55 1.02 -1.18 -4.99 118.68 120.92 1bq4 s LEU 145 Ca 0.09 1.59 -0.30 0.00 0.02 0.00 0.00 54.13 55.53 1bq4 s LEU 145 Cb 0.16 -3.54 -0.10 0.00 0.02 0.00 0.00 46.19 42.73 1bq4 s LEU 145 CO 0.72 -1.09 1.48 -2.16 0.02 0.00 0.00 176.35 175.32 1bq4 s PRO 146 N 4.27 4.23 0.00 1.29 0.04 -1.26 -4.94 135.00 138.62 1bq4 s PRO 146 Ca 0.65 2.38 0.25 0.00 0.04 0.00 0.00 61.00 64.31 1bq4 s PRO 146 Cb -0.23 -3.09 0.53 0.00 0.04 0.00 0.00 34.50 31.76 1bq4 s PRO 146 CO 0.25 -0.48 1.43 0.39 0.04 0.00 0.00 177.00 178.63 1bq4 n GLU 147 N 2.28 0.74 0.00 4.56 1.02 -1.26 -4.96 120.64 123.02 1bq4 n GLU 147 Ca 0.07 -0.48 0.00 0.00 -0.02 0.00 0.00 57.16 56.73 1bq4 n GLU 147 Cb 0.39 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1bq4 n GLU 147 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1bq4 n THR 148 N -0.71 0.00 -3.77 2.62 5.66 -1.26 -1.83 114.28 115.00 1bq4 n THR 148 Ca 0.10 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.06 1bq4 n THR 148 Cb 0.37 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.13 1bq4 n THR 148 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1bq4 s GLU 149 N -2.00 1.32 0.14 1.09 2.02 -0.80 -4.81 118.70 115.66 1bq4 s GLU 149 Ca 0.00 -0.72 0.02 0.00 0.02 0.00 0.00 54.97 54.29 1bq4 s GLU 149 Cb 0.00 0.45 -0.04 0.00 0.10 0.00 0.00 34.13 34.64 1bq4 s GLU 149 CO 0.00 -0.60 -0.05 -1.54 0.02 0.00 0.00 175.26 173.09 1bq4 s SER 150 N -2.92 1.35 0.26 -0.19 1.04 -1.26 -3.88 113.70 108.10 1bq4 s SER 150 Ca 0.12 -1.08 -0.01 0.00 0.48 0.00 0.00 55.95 55.46 1bq4 s SER 150 Cb -0.02 0.07 0.50 0.00 0.10 0.00 0.00 66.02 66.67 1bq4 s SER 150 CO 0.03 -0.47 1.80 0.25 0.98 0.00 0.00 173.24 175.82 1bq4 h LEU 151 N 2.80 0.68 0.06 2.42 5.85 -1.75 0.22 115.31 125.59 1bq4 h LEU 151 Ca -0.36 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.44 1bq4 h LEU 151 Cb 1.19 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 1bq4 h LEU 151 CO 0.64 0.34 -0.51 0.00 -0.34 0.00 0.00 178.44 178.57 1bq4 h ALA 152 N 1.52 -0.91 -0.37 1.25 0.00 -1.20 -1.03 119.26 118.52 1bq4 h ALA 152 Ca 0.45 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.34 1bq4 h ALA 152 Cb 0.52 0.88 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 1bq4 h ALA 152 CO -0.30 -1.09 -0.01 -0.07 0.00 0.00 0.00 179.25 177.78 1bq4 h LEU 153 N -0.69 -0.18 -0.51 0.00 -0.00 -1.54 -2.58 115.31 109.81 1bq4 h LEU 153 Ca 0.01 0.09 0.10 0.00 -0.00 0.00 0.00 57.88 58.08 1bq4 h LEU 153 Cb 0.73 0.16 -0.10 0.00 -0.00 0.00 0.00 40.66 41.46 1bq4 h LEU 153 CO -0.32 -0.05 -0.12 0.58 -0.00 0.00 0.00 178.44 178.53 1bq4 h VAL 154 N 0.08 0.50 0.00 1.22 2.07 -0.04 0.46 116.25 120.55 1bq4 h VAL 154 Ca 0.18 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 1bq4 h VAL 154 Cb 0.25 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1bq4 h VAL 154 CO -0.31 0.00 -0.12 0.40 0.02 0.00 0.00 177.57 177.56 1bq4 h ILE 155 N 0.01 0.87 -0.25 4.57 2.04 -0.83 -0.43 117.51 123.50 1bq4 h ILE 155 Ca 0.24 -0.43 -0.12 0.00 1.00 0.00 0.00 64.86 65.55 1bq4 h ILE 155 Cb 0.37 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1bq4 h ILE 155 CO -0.52 0.11 -0.34 0.44 0.00 0.00 0.00 178.15 177.85 1bq4 h ASP 156 N 0.00 0.55 0.35 1.72 3.45 -0.62 -1.25 116.42 120.62 1bq4 h ASP 156 Ca -0.00 -0.22 0.00 0.00 0.43 0.00 0.00 57.03 57.24 1bq4 h ASP 156 Cb 0.24 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 1bq4 h ASP 156 CO 0.02 0.85 -0.54 -2.11 -1.57 0.00 0.00 179.24 175.89 1bq4 n ARG 157 N -4.07 0.19 -0.06 3.56 -4.01 -0.83 -4.27 116.66 107.18 1bq4 n ARG 157 Ca -0.01 -0.12 -0.22 0.00 -1.04 0.00 0.00 57.85 56.46 1bq4 n ARG 157 Cb 0.47 -1.50 -0.13 0.00 -3.04 0.00 0.00 32.46 28.27 1bq4 n ARG 157 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 1bq4 n LEU 158 N -1.30 2.43 -0.32 2.89 0.00 -0.23 -4.47 117.00 115.99 1bq4 n LEU 158 Ca 0.07 0.22 0.11 0.00 0.00 0.00 0.00 56.01 56.41 1bq4 n LEU 158 Cb 0.34 -1.02 0.24 0.00 0.00 0.00 0.00 43.42 42.98 1bq4 n LEU 158 CO 0.35 0.69 0.80 -0.07 0.00 0.00 0.00 177.39 179.15 1bq4 h LEU 159 N -0.32 -0.48 -1.00 -1.96 3.38 -1.41 -1.33 115.31 112.18 1bq4 h LEU 159 Ca -0.46 0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.81 1bq4 h LEU 159 Cb 1.78 0.46 -0.06 0.00 0.09 0.00 0.00 40.66 42.93 1bq4 h LEU 159 CO -0.07 -0.30 0.66 -0.65 0.09 0.00 0.00 178.44 178.17 1bq4 h PRO 160 N 0.04 1.22 0.07 1.13 0.11 -1.79 0.14 132.00 132.91 1bq4 h PRO 160 Ca 0.53 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.57 1bq4 h PRO 160 Cb 1.03 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1bq4 h PRO 160 CO -0.86 0.80 -0.03 -0.92 -0.21 0.00 0.00 178.00 176.79 1bq4 h TYR 161 N 1.25 -0.08 -0.80 0.65 3.20 -1.49 -1.61 116.97 118.10 1bq4 h TYR 161 Ca 0.41 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.38 1bq4 h TYR 161 Cb 0.03 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.26 1bq4 h TYR 161 CO -0.00 0.19 0.44 2.35 -1.64 0.00 0.00 178.16 179.50 1bq4 h TRP 162 N -0.36 0.79 -0.31 -3.82 2.91 -1.07 0.75 115.95 114.84 1bq4 h TRP 162 Ca -0.01 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 59.94 1bq4 h TRP 162 Cb 0.31 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 28.71 1bq4 h TRP 162 CO 0.02 0.30 -0.21 1.96 -1.03 0.00 0.00 178.44 179.47 1bq4 h GLN 163 N 0.72 0.58 0.00 2.65 4.20 -0.50 -1.01 115.11 121.75 1bq4 h GLN 163 Ca 0.39 -0.21 -0.20 0.00 0.06 0.00 0.00 58.65 58.69 1bq4 h GLN 163 Cb 0.40 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 1bq4 h GLN 163 CO -0.27 0.76 -1.76 -0.25 -0.67 0.00 0.00 178.83 176.64 1bq4 n ASP 164 N -4.13 2.59 -0.06 1.46 10.43 -0.63 -4.60 116.55 121.62 1bq4 n ASP 164 Ca 0.00 -0.03 -0.06 0.00 2.57 0.00 0.00 54.79 57.27 1bq4 n ASP 164 Cb 0.40 0.33 -0.02 0.00 1.84 0.00 0.00 41.12 43.67 1bq4 n ASP 164 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 1bq4 n VAL 165 N -2.62 1.02 -0.33 2.53 0.31 0.22 -3.88 118.33 115.57 1bq4 n VAL 165 Ca -0.21 0.26 -0.02 0.00 -0.01 0.00 0.00 64.34 64.37 1bq4 n VAL 165 Cb 0.81 -2.09 0.13 0.00 -0.91 0.00 0.00 33.84 31.79 1bq4 n VAL 165 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1bq4 h ILE 166 N -0.69 1.25 -0.35 2.52 2.04 -1.53 -2.68 117.51 118.07 1bq4 h ILE 166 Ca 0.00 -0.49 -0.10 0.00 1.00 0.00 0.00 64.86 65.27 1bq4 h ILE 166 Cb 0.62 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1bq4 h ILE 166 CO 0.00 0.25 -0.18 0.00 0.00 0.00 0.00 178.15 178.22 1bq4 h ALA 167 N 1.38 1.03 -0.48 1.87 0.00 -1.41 -1.66 119.26 119.99 1bq4 h ALA 167 Ca 0.34 -0.33 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1bq4 h ALA 167 Cb -0.10 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.44 1bq4 h ALA 167 CO -0.07 0.58 -0.19 -0.22 0.00 0.00 0.00 179.25 179.35 1bq4 h LYS 168 N 0.58 -0.08 0.09 0.00 3.64 -1.59 0.96 116.57 120.18 1bq4 h LYS 168 Ca 0.09 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1bq4 h LYS 168 Cb 0.63 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1bq4 h LYS 168 CO 0.04 -0.05 -0.05 -0.44 -2.27 0.00 0.00 179.45 176.69 1bq4 h ASP 169 N -0.08 -0.11 -0.65 4.20 3.45 -1.55 -2.64 116.42 119.04 1bq4 h ASP 169 Ca 0.23 -0.23 0.11 0.00 0.43 0.00 0.00 57.03 57.56 1bq4 h ASP 169 Cb 0.44 0.03 -0.08 0.00 -0.56 0.00 0.00 39.33 39.16 1bq4 h ASP 169 CO -0.54 0.18 0.24 -0.07 -1.57 0.00 0.00 179.24 177.47 1bq4 h LEU 170 N -0.40 0.22 -0.03 1.55 -0.00 -1.09 0.98 115.31 116.54 1bq4 h LEU 170 Ca -0.01 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1bq4 h LEU 170 Cb 0.33 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1bq4 h LEU 170 CO 0.02 0.12 0.00 0.18 -0.00 0.00 0.00 178.44 178.76 1bq4 n LEU 171 N -5.01 0.02 -0.56 1.67 4.77 0.31 -2.02 117.00 116.18 1bq4 n LEU 171 Ca 0.10 -0.01 0.06 0.00 -0.03 0.00 0.00 56.01 56.13 1bq4 n LEU 171 Cb 0.32 -0.01 0.11 0.00 -2.33 0.00 0.00 43.42 41.51 1bq4 n LEU 171 CO 0.20 0.01 0.55 -1.20 -1.33 0.00 0.00 177.39 175.62 1bq4 n SER 172 N -0.49 2.54 0.00 -1.43 7.64 0.31 -4.97 113.62 117.24 1bq4 n SER 172 Ca 0.00 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 58.08 1bq4 n SER 172 Cb 0.01 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1bq4 n SER 172 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bq4 n GLY 173 N 0.55 0.44 3.90 0.23 0.00 -0.86 -5.05 105.19 104.41 1bq4 n GLY 173 Ca 0.10 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 1bq4 n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bq4 s LYS 174 N -1.32 3.62 -0.26 1.61 -0.14 -1.05 -4.97 119.74 117.23 1bq4 s LYS 174 Ca 0.00 0.15 -0.11 0.00 -1.36 0.00 0.00 55.97 54.65 1bq4 s LYS 174 Cb 0.00 -2.48 -0.05 0.00 -1.68 0.00 0.00 37.83 33.62 1bq4 s LYS 174 CO 0.00 -0.01 0.19 0.99 -0.76 0.00 0.00 175.35 175.75 1bq4 s THR 175 N -2.43 5.33 -0.17 2.17 2.01 -1.26 -4.27 115.64 117.01 1bq4 s THR 175 Ca 0.47 0.19 -0.04 0.00 0.31 0.00 0.00 61.69 62.62 1bq4 s THR 175 Cb -0.10 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 1bq4 s THR 175 CO 0.37 0.29 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.85 1bq4 s VAL 176 N 1.47 3.73 -0.07 3.82 1.01 -0.89 -1.19 120.40 128.28 1bq4 s VAL 176 Ca 0.08 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1bq4 s VAL 176 Cb -0.15 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1bq4 s VAL 176 CO 0.08 0.47 -0.01 -0.32 0.00 0.00 0.00 175.10 175.33 1bq4 s MET 177 N 0.64 2.93 -0.03 2.72 0.00 -0.75 0.68 119.30 125.49 1bq4 s MET 177 Ca -0.03 -0.45 0.04 0.00 0.00 0.00 0.00 55.69 55.26 1bq4 s MET 177 Cb -0.14 -2.75 -0.01 0.00 0.00 0.00 0.00 34.83 31.93 1bq4 s MET 177 CO 0.02 0.69 -0.16 0.42 0.00 0.00 0.00 175.02 175.99 1bq4 s ILE 178 N -0.90 1.33 -0.19 10.11 1.01 0.32 -1.76 121.20 131.11 1bq4 s ILE 178 Ca 0.14 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 1bq4 s ILE 178 Cb -0.11 -1.14 0.05 0.00 0.01 0.00 0.00 42.46 41.27 1bq4 s ILE 178 CO 0.03 0.38 -0.03 0.00 0.00 0.00 0.00 174.94 175.33 1bq4 s ALA 179 N -0.09 1.47 0.00 9.38 0.00 -0.46 -0.50 121.76 131.57 1bq4 s ALA 179 Ca -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1bq4 s ALA 179 Cb -0.10 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.81 1bq4 s ALA 179 CO 0.01 -0.99 0.00 0.00 0.00 0.00 0.00 175.76 174.78 1bq4 n ALA 180 N 4.87 0.00 -2.54 0.00 0.00 -1.11 -3.32 120.51 118.40 1bq4 n ALA 180 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.08 1bq4 n ALA 180 Cb 0.47 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.81 1bq4 n ALA 180 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1bq4 s HIS 181 N 1.78 2.31 0.22 0.00 3.76 -1.26 -3.42 115.29 118.69 1bq4 s HIS 181 Ca 0.00 -0.65 -0.11 0.00 -0.15 0.00 0.00 55.06 54.14 1bq4 s HIS 181 Cb 0.00 -1.47 0.30 0.00 1.11 0.00 0.00 32.58 32.52 1bq4 s HIS 181 CO 0.00 0.41 1.63 0.78 -0.85 0.00 0.00 174.74 176.71 1bq4 h GLY 182 N 1.99 0.58 1.62 -2.22 0.00 -1.95 -1.36 103.07 101.73 1bq4 h GLY 182 Ca -0.42 0.18 -0.27 0.00 0.00 0.00 0.00 47.33 46.82 1bq4 h GLY 182 CO 0.74 -0.25 -1.26 3.43 0.00 0.00 0.00 176.54 179.20 1bq4 h ASN 183 N 0.04 0.33 0.00 0.19 2.35 -1.97 0.79 115.58 117.31 1bq4 h ASN 183 Ca 0.34 -0.38 -0.09 0.00 -0.55 0.00 0.00 56.30 55.62 1bq4 h ASN 183 Cb 0.54 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1bq4 h ASN 183 CO -0.66 1.30 -0.26 0.77 -1.65 0.00 0.00 177.43 176.94 1bq4 h SER 184 N 0.06 0.40 0.74 5.81 4.64 -1.72 0.96 113.55 124.43 1bq4 h SER 184 Ca -0.13 -0.13 -0.25 0.00 -0.47 0.00 0.00 61.79 60.80 1bq4 h SER 184 Cb 1.95 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.90 1bq4 h SER 184 CO 0.18 0.66 -1.28 -0.07 -0.87 0.00 0.00 176.83 175.45 1bq4 h LEU 185 N 0.36 0.14 -0.10 5.97 3.38 -1.27 -1.46 115.31 122.34 1bq4 h LEU 185 Ca 0.05 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1bq4 h LEU 185 Cb 0.64 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1bq4 h LEU 185 CO 0.05 1.15 0.05 0.03 0.09 0.00 0.00 178.44 179.80 1bq4 h ARG 186 N 0.02 0.11 0.06 1.13 3.08 -0.45 0.47 114.38 118.80 1bq4 h ARG 186 Ca -0.13 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.94 1bq4 h ARG 186 Cb 1.90 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.88 1bq4 h ARG 186 CO 0.14 0.07 -0.33 0.78 -1.07 0.00 0.00 179.97 179.56 1bq4 h GLY 187 N 0.11 -0.59 1.64 0.04 0.00 0.11 -2.13 103.07 102.25 1bq4 h GLY 187 Ca 0.04 0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.70 1bq4 h GLY 187 CO -0.02 -0.24 -0.12 -2.00 0.00 0.00 0.00 176.54 174.16 1bq4 h LEU 188 N -0.52 0.42 -1.18 3.11 5.85 -1.17 -2.71 115.31 119.11 1bq4 h LEU 188 Ca 0.05 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 1bq4 h LEU 188 Cb 0.58 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1bq4 h LEU 188 CO -0.23 0.57 -0.39 0.58 -0.34 0.00 0.00 178.44 178.63 1bq4 h VAL 189 N 0.41 1.18 0.36 1.05 2.07 -0.40 -0.99 116.25 119.92 1bq4 h VAL 189 Ca 0.08 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 1bq4 h VAL 189 Cb 0.46 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1bq4 h VAL 189 CO 0.03 0.38 -0.17 0.50 0.02 0.00 0.00 177.57 178.33 1bq4 h LYS 190 N 0.00 -0.46 -0.38 1.57 3.64 -1.18 0.27 116.57 120.03 1bq4 h LYS 190 Ca -0.00 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1bq4 h LYS 190 Cb 0.74 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.62 1bq4 h LYS 190 CO 0.05 -0.17 0.12 1.25 -2.27 0.00 0.00 179.45 178.43 1bq4 h HIS 191 N -0.73 0.21 -0.48 1.91 2.76 -1.36 0.24 115.15 117.70 1bq4 h HIS 191 Ca -0.05 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.08 1bq4 h HIS 191 Cb 0.50 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 1bq4 h HIS 191 CO 0.01 0.07 0.04 -0.07 -1.30 0.00 0.00 177.93 176.68 1bq4 h LEU 192 N 0.27 0.79 -1.37 0.26 3.38 -1.05 -3.31 115.31 114.28 1bq4 h LEU 192 Ca 0.18 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1bq4 h LEU 192 Cb 0.17 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1bq4 h LEU 192 CO -0.19 0.87 -0.02 -0.62 0.09 0.00 0.00 178.44 178.57 1bq4 n GLU 193 N -4.40 1.92 -3.26 1.13 1.02 0.94 -4.61 120.64 113.38 1bq4 n GLU 193 Ca 0.01 -1.37 -0.20 0.00 -0.02 0.00 0.00 57.16 55.58 1bq4 n GLU 193 Cb 0.28 -1.47 0.06 0.00 -0.02 0.00 0.00 31.44 30.28 1bq4 n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bq4 n GLY 194 N 1.26 -0.32 3.76 0.62 0.00 0.81 -4.97 105.19 106.35 1bq4 n GLY 194 Ca 0.16 0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 1bq4 n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bq4 s ILE 195 N -3.21 4.10 0.66 -0.61 1.01 -0.99 -5.02 121.20 117.14 1bq4 s ILE 195 Ca 0.42 2.01 -0.17 0.00 0.00 0.00 0.00 60.65 62.91 1bq4 s ILE 195 Cb -0.19 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.05 1bq4 s ILE 195 CO 0.52 0.39 1.22 -0.94 0.00 0.00 0.00 174.94 176.13 1bq4 s SER 196 N -1.31 4.67 0.62 3.58 1.04 -1.26 -4.83 113.70 116.22 1bq4 s SER 196 Ca 0.44 2.40 0.39 0.00 0.48 0.00 0.00 55.95 59.66 1bq4 s SER 196 Cb -0.24 -2.60 2.08 0.00 0.10 0.00 0.00 66.02 65.36 1bq4 s SER 196 CO 0.30 -1.94 2.26 0.44 0.98 0.00 0.00 173.24 175.27 1bq4 h ASP 197 N 0.30 0.00 0.37 7.02 3.32 -2.01 -1.85 116.42 123.56 1bq4 h ASP 197 Ca -0.49 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.24 1bq4 h ASP 197 Cb 1.30 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.81 1bq4 h ASP 197 CO 0.52 0.01 -1.83 0.00 -1.72 0.00 0.00 179.24 176.23 1bq4 n ALA 198 N -2.13 1.34 0.76 3.45 0.00 -1.26 -4.34 120.51 118.33 1bq4 n ALA 198 Ca -0.02 -0.75 0.12 0.00 0.00 0.00 0.00 53.44 52.79 1bq4 n ALA 198 Cb 0.13 -0.77 0.27 0.00 0.00 0.00 0.00 19.45 19.09 1bq4 n ALA 198 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bq4 n ASP 199 N -3.15 0.56 -0.14 0.00 8.00 -0.76 -4.34 116.55 116.72 1bq4 n ASP 199 Ca -0.22 0.09 -0.04 0.00 0.71 0.00 0.00 54.79 55.33 1bq4 n ASP 199 Cb 1.06 0.02 0.16 0.00 -0.02 0.00 0.00 41.12 42.34 1bq4 n ASP 199 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1bq4 h ILE 200 N 0.00 1.24 -0.82 0.53 6.09 -1.57 -3.23 117.51 119.74 1bq4 h ILE 200 Ca 0.00 -0.90 0.20 0.00 -1.37 0.00 0.00 64.86 62.79 1bq4 h ILE 200 Cb 0.64 0.72 -0.12 0.00 0.47 0.00 0.00 36.82 38.53 1bq4 h ILE 200 CO 0.00 0.33 0.23 0.00 -3.07 0.00 0.00 178.15 175.64 1bq4 h ALA 201 N 1.28 1.14 0.00 0.18 0.00 -1.83 -0.51 119.26 119.53 1bq4 h ALA 201 Ca 0.17 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1bq4 h ALA 201 Cb 0.36 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1bq4 h ALA 201 CO 0.01 -0.38 0.00 1.63 0.00 0.00 0.00 179.25 180.51 1bq4 n LYS 202 N -5.16 0.58 -3.57 0.00 4.76 -1.22 -4.78 118.16 108.76 1bq4 n LYS 202 Ca 0.18 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.25 1bq4 n LYS 202 Cb 0.57 -1.37 -0.06 0.00 -1.84 0.00 0.00 35.03 32.32 1bq4 n LYS 202 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1bq4 s LEU 203 N -1.74 4.36 0.11 -0.35 2.96 -0.20 -5.07 118.68 118.74 1bq4 s LEU 203 Ca 0.21 0.68 0.05 0.00 -0.22 0.00 0.00 54.13 54.85 1bq4 s LEU 203 Cb 0.10 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 1bq4 s LEU 203 CO 0.16 0.23 -0.13 0.21 -1.32 0.00 0.00 176.35 175.50 1bq4 s ASN 204 N -0.35 1.87 -0.20 3.68 2.47 -1.26 -5.05 114.94 116.10 1bq4 s ASN 204 Ca 0.19 -0.80 0.01 0.00 0.42 0.00 0.00 52.86 52.69 1bq4 s ASN 204 Cb -0.14 -0.05 0.03 0.00 -1.45 0.00 0.00 41.25 39.63 1bq4 s ASN 204 CO 0.08 -0.16 -0.17 -0.63 -3.72 0.00 0.00 177.10 172.50 1bq4 s ILE 205 N -2.14 2.17 0.18 -5.21 1.01 -1.26 -5.08 121.20 110.87 1bq4 s ILE 205 Ca 0.08 -1.10 -0.33 0.00 0.00 0.00 0.00 60.65 59.29 1bq4 s ILE 205 Cb -0.05 -2.01 -0.13 0.00 0.01 0.00 0.00 42.46 40.28 1bq4 s ILE 205 CO 0.02 0.38 1.63 -2.65 0.00 0.00 0.00 174.94 174.32 1bq4 n PRO 206 N 4.58 2.40 -2.25 2.79 -0.02 -1.26 -4.95 135.00 136.29 1bq4 n PRO 206 Ca -0.19 0.86 -0.36 0.00 -2.02 0.00 0.00 63.50 61.79 1bq4 n PRO 206 Cb 0.48 -2.66 -0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1bq4 n PRO 206 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1bq4 s THR 207 N 1.00 3.10 0.00 3.45 -4.23 -1.26 -3.47 115.64 114.23 1bq4 s THR 207 Ca 0.77 0.78 0.00 0.00 -1.18 0.00 0.00 61.69 62.06 1bq4 s THR 207 Cb -0.61 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 69.86 1bq4 s THR 207 CO 0.36 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 1bq4 n GLY 208 N 0.36 0.29 3.13 3.99 0.00 -0.88 -4.98 105.19 107.10 1bq4 n GLY 208 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1bq4 n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bq4 s ILE 209 N -1.74 1.81 -0.21 -0.61 1.09 -1.23 -3.78 121.20 116.54 1bq4 s ILE 209 Ca 0.00 -0.84 -0.29 0.00 -1.10 0.00 0.00 60.65 58.42 1bq4 s ILE 209 Cb 0.00 -1.62 -0.02 0.00 -1.06 0.00 0.00 42.46 39.77 1bq4 s ILE 209 CO 0.00 0.50 1.44 -2.84 -0.10 0.00 0.00 174.94 173.94 1bq4 s PRO 210 N 0.82 3.99 -0.24 2.79 0.02 -1.26 -4.52 135.00 136.61 1bq4 s PRO 210 Ca -0.09 1.61 -0.19 0.00 0.02 0.00 0.00 61.00 62.35 1bq4 s PRO 210 Cb -0.16 -3.91 -0.03 0.00 0.02 0.00 0.00 34.50 30.43 1bq4 s PRO 210 CO -0.00 -1.03 0.56 -1.17 -0.33 0.00 0.00 177.00 175.02 1bq4 s LEU 211 N 4.36 4.09 -0.18 -5.54 0.20 -0.72 -2.24 118.68 118.65 1bq4 s LEU 211 Ca 0.63 0.64 -0.06 0.00 0.69 0.00 0.00 54.13 56.03 1bq4 s LEU 211 Cb -0.23 -2.75 -0.04 0.00 -0.43 0.00 0.00 46.19 42.75 1bq4 s LEU 211 CO 0.24 -0.28 0.03 -0.69 -0.29 0.00 0.00 176.35 175.36 1bq4 s VAL 212 N 2.15 4.52 -0.15 1.68 1.01 -0.91 -0.90 120.40 127.80 1bq4 s VAL 212 Ca 0.24 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1bq4 s VAL 212 Cb -0.16 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1bq4 s VAL 212 CO 0.09 0.47 -0.18 -0.36 0.00 0.00 0.00 175.10 175.12 1bq4 s PHE 213 N 0.39 2.73 -0.71 5.22 0.40 0.13 -2.86 117.98 123.28 1bq4 s PHE 213 Ca 0.01 -1.16 -0.14 0.00 -0.60 0.00 0.00 56.93 55.04 1bq4 s PHE 213 Cb -0.13 -1.85 0.18 0.00 0.51 0.00 0.00 43.02 41.73 1bq4 s PHE 213 CO 0.01 -0.53 0.64 -1.21 0.70 0.00 0.00 175.22 174.84 1bq4 s GLU 214 N 0.79 3.29 0.33 0.44 2.02 -1.26 -1.32 118.70 122.99 1bq4 s GLU 214 Ca -0.07 -2.19 -0.18 0.00 0.02 0.00 0.00 54.97 52.55 1bq4 s GLU 214 Cb -0.15 -4.32 -0.09 0.00 0.10 0.00 0.00 34.13 29.66 1bq4 s GLU 214 CO -0.00 -1.29 0.80 -0.51 0.02 0.00 0.00 175.26 174.28 1bq4 s LEU 215 N 0.67 4.11 0.00 1.80 1.43 -0.88 -0.31 118.68 125.50 1bq4 s LEU 215 Ca 0.12 1.45 0.04 0.00 -1.03 0.00 0.00 54.13 54.71 1bq4 s LEU 215 Cb -0.18 -4.10 0.07 0.00 0.03 0.00 0.00 46.19 42.01 1bq4 s LEU 215 CO -0.04 -0.19 0.54 -0.90 0.23 0.00 0.00 176.35 175.99 1bq4 n ASP 216 N -0.16 1.12 0.00 2.29 3.85 0.15 -2.28 116.55 121.53 1bq4 n ASP 216 Ca 0.03 -1.86 0.03 0.00 -0.71 0.00 0.00 54.79 52.29 1bq4 n ASP 216 Cb 0.53 -0.31 0.20 0.00 -1.35 0.00 0.00 41.12 40.18 1bq4 n ASP 216 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1bq4 n GLU 217 N -1.91 0.26 -0.08 0.11 0.00 -1.26 -0.08 120.64 117.67 1bq4 n GLU 217 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.31 1bq4 n GLU 217 Cb 0.37 -1.40 0.09 0.00 0.00 0.00 0.00 31.44 30.49 1bq4 n GLU 217 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1bq4 n ASN 218 N -0.90 2.39 -3.78 -1.84 3.02 -1.26 -4.98 115.26 107.91 1bq4 n ASN 218 Ca 0.05 -2.42 -0.27 0.00 -0.03 0.00 0.00 54.58 51.90 1bq4 n ASN 218 Cb 0.02 -0.21 0.05 0.00 -0.61 0.00 0.00 39.78 39.03 1bq4 n ASN 218 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1bq4 n LEU 219 N -0.66 -2.92 -4.26 3.41 4.77 0.88 -5.01 117.00 113.22 1bq4 n LEU 219 Ca 0.08 -0.69 -0.28 0.00 -0.03 0.00 0.00 56.01 55.09 1bq4 n LEU 219 Cb 0.45 -2.76 -0.15 0.00 -2.33 0.00 0.00 43.42 38.63 1bq4 n LEU 219 CO 0.03 0.54 -0.54 -0.75 -1.33 0.00 0.00 177.39 175.33 1bq4 s LYS 220 N -6.47 1.79 -0.02 3.23 2.20 -1.26 -4.84 119.74 114.37 1bq4 s LYS 220 Ca 0.61 -0.85 -0.32 0.00 -0.36 0.00 0.00 55.97 55.04 1bq4 s LYS 220 Cb -0.29 -1.77 -0.11 0.00 -1.51 0.00 0.00 37.83 34.15 1bq4 s LYS 220 CO 0.79 0.48 1.92 -2.30 -0.36 0.00 0.00 175.35 175.88 1bq4 n PRO 221 N 2.38 2.51 0.00 4.03 -0.02 -1.26 -0.68 135.00 141.96 1bq4 n PRO 221 Ca -0.16 0.92 0.14 0.00 -2.02 0.00 0.00 63.50 62.38 1bq4 n PRO 221 Cb 0.52 -2.81 0.70 0.00 -0.02 0.00 0.00 33.50 31.88 1bq4 n PRO 221 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1bq4 n SER 222 N 6.95 0.00 -3.59 2.55 3.41 0.57 -4.84 113.62 118.67 1bq4 n SER 222 Ca 0.21 0.09 -0.04 0.00 -0.26 0.00 0.00 58.87 58.87 1bq4 n SER 222 Cb 0.35 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 1bq4 n SER 222 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1bq4 s LYS 223 N -2.72 0.43 0.53 4.33 -2.85 -1.25 -5.07 119.74 113.13 1bq4 s LYS 223 Ca 0.23 -0.17 -0.22 0.00 -1.00 0.00 0.00 55.97 54.81 1bq4 s LYS 223 Cb 0.19 0.19 -0.05 0.00 -2.06 0.00 0.00 37.83 36.10 1bq4 s LYS 223 CO 0.47 -0.19 1.29 -1.25 0.10 0.00 0.00 175.35 175.78 1bq4 s PRO 224 N -2.56 3.29 0.48 1.78 0.04 -1.26 -4.56 135.00 132.21 1bq4 s PRO 224 Ca 0.09 2.07 -0.23 0.00 0.04 0.00 0.00 61.00 62.97 1bq4 s PRO 224 Cb -0.00 -2.27 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 1bq4 s PRO 224 CO -0.05 -1.02 1.23 -1.54 0.04 0.00 0.00 177.00 175.67 1bq4 s SER 225 N -1.13 5.89 -0.03 6.66 1.04 -1.26 -4.85 113.70 120.02 1bq4 s SER 225 Ca 0.70 2.47 0.01 0.00 0.48 0.00 0.00 55.95 59.62 1bq4 s SER 225 Cb -0.36 -2.62 0.01 0.00 0.10 0.00 0.00 66.02 63.16 1bq4 s SER 225 CO 0.43 -1.12 -0.05 -0.72 0.98 0.00 0.00 173.24 172.75 1bq4 s TYR 226 N -1.45 0.66 0.37 5.02 1.13 -1.14 -4.98 117.35 116.96 1bq4 s TYR 226 Ca 0.66 -0.16 -0.19 0.00 -1.41 0.00 0.00 57.07 55.97 1bq4 s TYR 226 Cb -0.33 -0.54 -0.10 0.00 -1.10 0.00 0.00 41.96 39.89 1bq4 s TYR 226 CO 0.40 -0.12 0.86 0.71 -2.51 0.00 0.00 175.55 174.89 1bq4 s TYR 227 N 0.51 3.39 -1.04 -3.49 2.02 -1.26 -2.15 117.35 115.32 1bq4 s TYR 227 Ca -0.07 1.48 0.00 0.00 -0.37 0.00 0.00 57.07 58.12 1bq4 s TYR 227 Cb -0.10 -2.74 0.00 0.00 -0.40 0.00 0.00 41.96 38.72 1bq4 s TYR 227 CO -0.00 0.01 0.31 1.28 -1.57 0.00 0.00 175.55 175.59 1bq4 n LEU 228 N -0.36 0.57 -2.66 -1.29 4.77 -0.95 -3.72 117.00 113.36 1bq4 n LEU 228 Ca 0.05 -0.29 -0.03 0.00 -0.03 0.00 0.00 56.01 55.71 1bq4 n LEU 228 Cb 0.53 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1bq4 n LEU 228 CO 0.39 0.14 0.54 -0.67 -1.33 0.00 0.00 177.39 176.47 1bq4 n ASP 229 N 0.17 -1.25 0.11 -1.43 -0.08 -1.26 -5.00 116.55 107.81 1bq4 n ASP 229 Ca 0.00 -0.90 0.11 0.00 -1.51 0.00 0.00 54.79 52.49 1bq4 n ASP 229 Cb 0.14 0.63 0.46 0.00 2.34 0.00 0.00 41.12 44.70 1bq4 n ASP 229 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1bq4 n PRO 230 N 2.38 0.17 0.08 -0.67 -0.02 -1.24 -2.99 135.00 132.71 1bq4 n PRO 230 Ca 0.09 0.38 -0.23 0.00 -2.02 0.00 0.00 63.50 61.72 1bq4 n PRO 230 Cb 0.67 -1.81 -0.15 0.00 -0.02 0.00 0.00 33.50 32.19 1bq4 n PRO 230 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1bq4 h GLU 231 N 0.00 0.40 0.00 -0.52 5.08 -1.95 -2.95 114.58 114.63 1bq4 h GLU 231 Ca 0.00 -0.68 0.00 0.00 -1.00 0.00 0.00 59.36 57.68 1bq4 h GLU 231 Cb 0.37 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1bq4 h GLU 231 CO 0.00 1.33 0.00 0.00 -1.00 0.00 0.00 179.01 179.34 1bq4 n ALA 232 N -2.83 2.18 1.03 3.43 0.00 -1.23 -2.33 120.51 120.76 1bq4 n ALA 232 Ca -0.22 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.23 1bq4 n ALA 232 Cb 1.03 -1.39 0.13 0.00 0.00 0.00 0.00 19.45 19.22 1bq4 n ALA 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bq4 n ALA 233 N -1.38 3.87 1.44 0.00 0.00 -1.16 -5.09 120.51 118.20 1bq4 n ALA 233 Ca 0.09 -0.46 0.14 0.00 0.00 0.00 0.00 53.44 53.21 1bq4 n ALA 233 Cb 0.23 -0.99 0.48 0.00 0.00 0.00 0.00 19.45 19.17 1bq4 n ALA 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50